ChemSpider 2D Image | 3-[4-(Hexyloxy)benzoyl]phenyl acetate | C21H24O4

3-[4-(Hexyloxy)benzoyl]phenyl acetate

  • Molecular FormulaC21H24O4
  • Average mass340.413 Da
  • Monoisotopic mass340.167450 Da
  • ChemSpider ID21397631

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[3-(Acetyloxy)phenyl][4-(hexyloxy)phenyl]methanone
3-[4-(Hexyloxy)benzoyl]phenyl acetate [ACD/IUPAC Name]
3-[4-(Hexyloxy)benzoyl]phenyl-acetat [German] [ACD/IUPAC Name]
890100-08-0 [RN]
Acétate de 3-[4-(hexyloxy)benzoyl]phényle [French] [ACD/IUPAC Name]
Methanone, [3-(acetyloxy)phenyl][4-(hexyloxy)phenyl]- [ACD/Index Name]
[3-(4-hexoxybenzoyl)phenyl] acetate
3-acetoxy-4-hexyloxybenzophenone
3-Acetoxy-4'-hexyloxybenzophenone
MFCD07698906 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 484.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 211.3±24.6 °C
Index of Refraction: 1.536
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4754.71
ACD/KOC (pH 5.5): 14916.88
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4754.71
ACD/KOC (pH 7.4): 14916.88
Polar Surface Area: 53 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

Click to predict properties on the Chemicalize site


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